SCHEMBL680353

SCHEMBL680353

CNCCc1ccccc1F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 8/20 1.00
▸ MPO P05164 3/20 0.53
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ AOC3 Q16853 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ ATM Q13315 1/20 0.50
▸ EPHX2 P34913 1/20 0.50
▸ GPR84 Q9NQS5 1/20 0.49
▸ CYP1A2 P05177 1/20 0.47
▸ GLA P06280 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ GFER P55789 1/20 0.46
▸ MCL1 Q07820 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6335728 0.88 TAAR1 (0.78) TAAR1MPOMEN1KMT2AAOC3
Hydrochloric Acid SCHEMBL7368184 0.80 TAAR1 (0.67) TAAR1MPOMEN1KMT2AAOC3
SCHEMBL17033966 0.79 TAAR1 (0.66) TAAR1MPOMEN1KMT2AAOC3
SCHEMBL28964921 0.78 TAAR1 (0.64) TAAR1MPOMEN1KMT2AAOC3
SCHEMBL27927899 0.78 TAAR1 (0.64) TAAR1MPOMEN1KMT2AAOC3
SCHEMBL28598186 0.78 TAAR1 (0.64) TAAR1MPOMEN1KMT2AAOC3
SCHEMBL6894181 0.78 TAAR1 (0.64) TAAR1MPOMEN1KMT2AAOC3
SCHEMBL27565797 0.78 TAAR1 (0.64) TAAR1MPOMEN1KMT2AAOC3
SCHEMBL8526001 0.78 TAAR1 (0.75) TAAR1MPOAOC3HPGD
SCHEMBL12312602 0.78 TAAR1 (0.63) TAAR1MPOMEN1KMT2AAOC3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 76 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1887008-B1 THIENOTRIAZOLODIAZEPINE COMPOUND AND A MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2021-04-21 — — EP disclosed
WO-2021072203-A1 TGFBETAR1 INHIBITOR-ASGR ANTIBODY CONJUGATES AND USES THEREOF SILVERBACK THERAPEUTICS, INC. (US) 2021-04-15 — — WO disclosed
WO-2021011834-A1 ALK5 INHIBITORS, CONJUGATES, AND USES THEREOF SILVERBACK THERAPEUTICS, INC. (US) 2021-01-21 — — WO disclosed
WO-2019242689-A1 CYANO-SUBSTITUTED PYRIDINE AND CYANO-SUBSTITUTED PYRIMIDINE COMPOUND, AND PREPARATION METHOD AND APPLICATION THEREOF 北京赛特明强医药科技有限公司 2019-12-26 — — WO disclosed
US-20170320870-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2017-11-09 — — US disclosed
US-20170320870-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2017-11-09 — — US disclosed
US-9169240-B2 Ketone linked benzothiazole inhibitors of endothelial lipase BRISTOL-MYERS SQUIBB COMPANY (US) 2015-10-27 — — US disclosed
WO-2014042939-A1 KETONE LINKED BENZOTHIAZOLE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL-MYERS SQUIBB COMPANY (US) 2014-03-20 — — WO disclosed
US-8575338-B2 Pyrimidine, pyridine and triazine derivatives as maxi-K channel openers MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-11-05 — — US disclosed
US-20130122050-A1 COMPOSITIONS AND METHODS FOR TREATING DIABETES USING LISOFYLLINE ANALOGS AND ISLET NEOGENESIS ASSOCIATED PEPTIDE DIAKINE THERAPEUTICS, INC. (US) 2013-05-16 — — US disclosed
US-20060063769-A1 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-03-23 — — US disclosed
US-20050197362-A1 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-09-08 — — US disclosed
CN-1662487-A Amide linker peroxisome proliferator-activated receptor modulators LILLY CO ELI (US) 2005-08-31 — — CN disclosed
EP-1517882-A1 AMIDE LINKER PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-03-30 — — EP disclosed
US-20050049237-A1 Pyrazole-amides and -sulfonamides ICAGEN, INC. (US) 2005-03-03 — — US disclosed
EP-1466625-A1 PREVENTIVES/REMEDIES FOR URINARY DISTURBANCE Takeda Chemical Industries, Ltd. (JP) 2004-10-13 — — EP disclosed
WO-2003014121-A9 COMPOUNDS, DERIVATIVES, COMPOSITIONS, PREPARATION AND USES GUILFORD PHARM INC (US) 2004-03-25 — — WO disclosed
WO-2004000789-A9 AMIDE LINKER PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS LILLY CO ELI (US) 2004-03-11 — — WO disclosed
WO-2004000789-A1 AMIDE LINKER PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2003-12-31 — — WO disclosed
WO-2003014121-A1 COMPOUNDS, DERIVATIVES, COMPOSITIONS, PREPARATION AND USES GUILFORD PHARMACEUTICALS INC. (US) 2003-02-20 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060063769-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 TAAR1 634/4885MPO 354/4885MEN1 2484/4885
US-20130122050-A1 COMPOSITIONS AND METHODS FOR TREATING DIABETES USING LISOFYLLINE ANALOGS AND ISLET NEOGENESIS ASSOCIATED PEPTIDE IAPP, LITAF, IGF2BP1 TAAR1 4461/4885MPO 631/4885MEN1 1516/4885
US-20170320870-A1 COMPOUNDS CBR3, CNR1, HCAR3 TAAR1 188/4885MPO 2881/4885MEN1 904/4885
US-20050049237-A1 Pyrazole-amides and -sulfonamides SCN3A, TRPV3, HCN3 TAAR1 2571/4885MPO 2602/4885MEN1 4543/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 TAAR1 634/4885MPO 354/4885MEN1 2484/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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